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A Non-Equilibrium Nucleation Model to Calculate the Density of State and Its Application to the Heat Capacity of Stoichiometric UO2

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Abstract

In this paper, the molar specific heat capacity is theoretically predicted for stoichiometric UO2.00 in the temperature range from 0 K to 3000 K. The λ-phase transition at 2670 ± 30 K and its transformation heat is predicted. Furthermore, the occurrence of a small discontinuity corresponds to the rapid and simultaneous magnetic, electrical, and structural transition to occurs at 30.5 K and unit cell change at 30.8 K have been reported. Debye temperature assumed for UO2.00 is \({\Theta }_{D}\cong 900K\). The Gibbs–Thomson coefficient applied to calculate the density of state is derived from considering the strain in the interior of the crystal due to the free surface of the solid grain. A new relation between surface tension and surface energy during solid–liquid nucleation is established, allowing calculating Gibbs–Thomson in terms of surface tension or surface energy. Theoretical predictions are plotted against experimental scatter.

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Acknowledgments

The authors acknowledge the financial support provided by FAPERJ (The Scientific Research Foundation of the State of Rio de Janeiro), CAPES (Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - Brasil - Finance Code 001) and CNPq (National Council for Scientific and Technological Development).

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  1. Faculty of Mechanical Engineering, Federal University of Pará, UFPA, Augusto Corrêa Avenue 1, Belém, PA, 66075-110, Brazil

    Ivaldo Leão Ferreira

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Ferreira, I.L. A Non-Equilibrium Nucleation Model to Calculate the Density of State and Its Application to the Heat Capacity of Stoichiometric UO2. Int J Thermophys 42, 148 (2021). https://doi.org/10.1007/s10765-021-02903-z

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